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Compound Detail

CHEMBL592856

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COP1(=O)CCCC(CO)=C(C)O1

Basic Information

ChEMBL ID CHEMBL592856
Phase Preclinical
Structure Type MOL
InChI Key YWRGRWXWXDTAMQ-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

206.2
MW (Da)
1.90
ALogP
4
HBA
1
HBD
55.8
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H15O4P
MW 206.18
Aromatic Rings 0
Heavy Atoms 13
NP-Likeness 0.83

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
20189400 10.1016/j.bmc.2010.01.063 Acetylcholinesterase 1
23095026 10.1021/jm301216x Gastric triacylglycerol lipase 1
23095026 10.1021/jm301216x Pancreatic lipase-related protein 2 1
23095026 10.1021/jm301216x Pancreatic triacylglycerol lipase 1
23095026 10.1021/jm301216x Unchecked 1
23095026 10.1021/jm301216x Monoacylglycerol lipase 1
23095026 10.1021/jm301216x Cutinase 1 1

Data from ChEMBL 36 via Core Engine